4,4-dimethyl-1-[4-[[4-(1-phenylethoxy)phenyl]amino]quinazolin-6-yl]pent-1-yn-3-ol

Systemtic Name: 4,4-dimethyl-1-[4-[[4-(1-phenylethoxy)phenyl]amino]quinazolin-6-yl]pent-1-yn-3-ol Openeye Name: 4,4-dimethyl-1-[4-[4-(1-phenylethoxy)anilino]quinazolin-6-yl]pent-1-yn-3-ol CAS Name: 4,4-dimethyl-1-[4-[4-(1-phenylethoxy)anilino]-6-quinazolinyl]-1-pentyn-3-ol IUPAC Name: 4,4-dimethyl-1-[4-[4-(1-phenylethoxy)anilino]quinazolin-6-yl]pent-1-yn-3-ol Traditional Name: 4,4-dimethyl-1-[4-[4-(1-phenylethoxy)anilino]quinazolin-6-yl]pent-1-yn-3-ol Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC(C(C)(C)C)O

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC(C(C)(C)C)O

InChI

InChI=1S/C29H29N3O2/c1-20(22-8-6-5-7-9-22)34-24-14-12-23(13-15-24)32-28-25-18-21(10-16-26(25)30-19-31-28)11-17-27(33)29(2,3)4/h5-10,12-16,18-20,27,33H,1-4H3,(H,30,31,32)